Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10290771 | 0.78 | TRPA1 (0.41) | TAAR1MAOACPA1 | |
| SCHEMBL7266299 | 0.76 | EPHX1 (0.54) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL5612637 | 0.76 | EPHX1 (0.54) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL6239697 | 0.74 | EPHX1 (0.57) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL309963 | 0.73 | EPHX1 (0.56) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL3484487 | 0.73 | TP53 (0.60) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL6486058 | 0.73 | EPHX1 (0.56) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL7327748 | 0.73 | EPHX1 (0.56) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL15317143 | 0.73 | EPHX1 (0.50) | EPHX1TAAR1MEN1KMT2ACYP1A2 | |
| SCHEMBL5561130 | 0.73 | EPHX1 (0.50) | EPHX1TAAR1MEN1KMT2ACYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |